2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid

C19H25ClN2O3 — CID 6734032

IUPAC2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCCC1
InChIInChI=1S/C19H25ClN2O3/c20-15-3-5-16(6-4-15)21-9-11-22(12-10-21)17(23)13-19(14-18(24)25)7-1-2-8-19/h3-6H,1-2,7-14H2,(H,24,25)
InChIKeyZOCYFRFYCJVYMX-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.41
Rot. Bonds5

About 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 6734032) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID6734032
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCCC1
InChIInChI=1S/C19H25ClN2O3/c20-15-3-5-16(6-4-15)21-9-11-22(12-10-21)17(23)13-19(14-18(24)25)7-1-2-8-19/h3-6H,1-2,7-14H2,(H,24,25)
InChIKeyZOCYFRFYCJVYMX-UHFFFAOYSA-N
XLogP3.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(azocan-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235044
2-[1-(2-oxo-2-piperidin-1-ylethyl)cyclohexyl]acetic acid
CID 43426933
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4692412
4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]guanidine
CID 110917770
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
2-[1-[2-(4,4-dimethylazepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 65283825

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid (CID 6734032) is 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCCC1.
What is the InChIKey of 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ZOCYFRFYCJVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-15-3-5-16(6-4-15)21-9-11-22(12-10-21)17(23)13-19(14-18(24)25)7-1-2-8-19/h3-6H,1-2,7-14H2,(H,24,25).
What are the key properties of 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 364.87 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 6734032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).